4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione

C10H11FN4O2 — CID 115417140

IUPAC4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1cc(F)ncn1
InChIInChI=1S/C10H11FN4O2/c1-10(2)9(17)14-8(16)4-15(10)7-3-6(11)12-5-13-7/h3,5H,4H2,1-2H3,(H,14,16,17)
InChIKeyKZXCSNCSJJNBPS-UHFFFAOYSA-N
MW238.22 g/mol
LogP-0.14
Rot. Bonds1

About 4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione

4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 115417140) has the molecular formula C10H11FN4O2 and a molecular weight of 238.22 g/mol. Its IUPAC name is 4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID115417140
Molecular FormulaC10H11FN4O2
Molecular Weight238.22 g/mol
Exact Mass238.09
IUPAC Name4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1cc(F)ncn1
InChIInChI=1S/C10H11FN4O2/c1-10(2)9(17)14-8(16)4-15(10)7-3-6(11)12-5-13-7/h3,5H,4H2,1-2H3,(H,14,16,17)
InChIKeyKZXCSNCSJJNBPS-UHFFFAOYSA-N
XLogP-0.14
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione (CID 115417140) is 4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1c1cc(F)ncn1.
What is the InChIKey of 4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is KZXCSNCSJJNBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2/c1-10(2)9(17)14-8(16)4-15(10)7-3-6(11)12-5-13-7/h3,5H,4H2,1-2H3,(H,14,16,17).
What are the key properties of 4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 238.22 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoropyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 115417140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).